Contributions of water transfer energy to protein-ligand association and dissociation barriers: Watermap analysis of a series of p38α MAP kinase inhibitors.

Contributions of water transfer energy to protein-ligand association and dissociation barriers: Watermap analysis of a series of p38α MAP kinase inhibitors.

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http://www.wikidata.org/entity/Q46377411
Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen-Hydrogen CorrelationsBeyond Membrane Protein Structure: Drug Discovery, Dynamics and Difficulties.Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes.Mechanism of the Association Pathways for a Pair of Fast and Slow Binding Ligands of HIV-1 Protease.Role of Desolvation in Thermodynamics and Kinetics of Ligand Binding to a Kinase.Molecular recognition in chemical and biological systems.Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST.Relationship between Solvation Thermodynamics from IST and DFT Perspectives.AutoDock-GIST: Incorporating Thermodynamics of Active-Site Water into Scoring Function for Accurate Protein-Ligand Docking.Role of Molecular Interactions and Protein Rearrangement in the Dissociation Kinetics of p38α MAP Kinase Type-I/II/III Inhibitors.Extracting ligands from receptors by reversed targeted molecular dynamics.Engineering the Pseudomonas aeruginosa II lectin: designing mutants with changed affinity and specificity.High end GPCR design: crafted ligand design and druggability analysis using protein structure, lipophilic hotspots and explicit water networks.Epistructural Dynamics of Biological Water
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Contributions of water transfer energy to protein-ligand association and dissociation barriers: Watermap analysis of a series of p38α MAP kinase inhibitors.

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http://www.wikidata.org/entity/Q46377411
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Contributions of water transfe ...... of p38α MAP kinase inhibitors.
@en
Contributions of water transfe ...... of p38α MAP kinase inhibitors.
@nl
type
label
Contributions of water transfe ...... of p38α MAP kinase inhibitors.
@en
Contributions of water transfe ...... of p38α MAP kinase inhibitors.
@nl
prefLabel
Contributions of water transfe ...... of p38α MAP kinase inhibitors.
@en
Contributions of water transfe ...... of p38α MAP kinase inhibitors.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698
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P1433
P1476
Contributions of water transfe ...... of p38α MAP kinase inhibitors.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698